1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide

C38H42N4O4 — CID 3942749

IUPAC1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
SMILESCCCC(C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1)C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C38H42N4O4/c1-2-15-32(33(35(43)39-24-28-16-7-3-8-17-28)36(44)40-25-29-18-9-4-10-19-29)34(37(45)41-26-30-20-11-5-12-21-30)38(46)42-27-31-22-13-6-14-23-31/h3-14,16-23,32-34H,2,15,24-27H2,1H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKeyXGJTXRZNHXXDOT-UHFFFAOYSA-N
MW618.78 g/mol
LogP4.90
Rot. Bonds16

About 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide

1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide (PubChem CID 3942749) has the molecular formula C38H42N4O4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
PubChem CID3942749
Molecular FormulaC38H42N4O4
Molecular Weight618.78 g/mol
Exact Mass618.32
IUPAC Name1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
SMILESCCCC(C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1)C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C38H42N4O4/c1-2-15-32(33(35(43)39-24-28-16-7-3-8-17-28)36(44)40-25-29-18-9-4-10-19-29)34(37(45)41-26-30-20-11-5-12-21-30)38(46)42-27-31-22-13-6-14-23-31/h3-14,16-23,32-34H,2,15,24-27H2,1H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKeyXGJTXRZNHXXDOT-UHFFFAOYSA-N
XLogP4.90
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.78
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide with MolForge

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Related Compounds

N-benzyl-2-hydroxypentanamide
CID 141058656
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873
2-amino-N-benzylpentanamide
CID 11020044
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
(2S)-2-(4-benzoylpyridin-1-ium-1-yl)-N-benzylpropanamide
CID 8858580
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
CID 65227019
N-benzyl-4-(methylamino)heptanamide
CID 142110243

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide (CID 3942749) is 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide is CCCC(C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1)C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide?
The InChIKey is XGJTXRZNHXXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N4O4/c1-2-15-32(33(35(43)39-24-28-16-7-3-8-17-28)36(44)40-25-29-18-9-4-10-19-29)34(37(45)41-26-30-20-11-5-12-21-30)38(46)42-27-31-22-13-6-14-23-31/h3-14,16-23,32-34H,2,15,24-27H2,1H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46).
What are the key properties of 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide?
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide has a molecular weight of 618.78 g/mol, XLogP of 4.90, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide is sourced from PubChem (CID 3942749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).